Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.115, No.32 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (34 articles)

8779 - 8782	Argon Solvent Effects on Optical Properties of Silver Metal Clusters Christen W, Radcliffe P, Przystawik A, Diederich T, Tiggesbaumker J
8783 - 8790	Dynamics by Solid-State NMR: Detailed Study of Ibuprofen Na Salt and Comparison with Ibuprofen Carignani E, Borsacchi S, Geppi M
8791 - 8796	State-to-State Quantum Dynamics Calculations of the C plus OH Reaction on the Second Excited Potential Energy Surface Jorfi M, Honvault P
8797 - 8807	Intermolecular Vibrational Spectra of C-3v, CXY3 Molecular Liquids, CHCl3, CHBr3, CFBr3, and CBrCl3 Shirota H, Kato T
8808 - 8815	Ultrafast Nonradiative Decay of Electronically Excited States of Malachite Green: Ab Initio Calculations Nakayama A, Taketsugu T
8816 - 8821	Hybrid Quantum Mechanics/Molecular Mechanics-Based Molecular Dynamics Simulation of Acid-Catalyzed Dehydration of Polyols in Liquid Water Caratzoulas S, Courtney T, Vlachos DG
8822 - 8831	A Study To Control Chemical Reactions Using Si:2p Core Ionization: Site-Specific Fragmentation Nagaoka S, Fukuzawa H, Prumper G, Takemoto M, Takahashi O, Yamaguchi K, Kakiuchi T, Tabayashi K, Suzuki IH, Harries JR, Tamenori Y, Ueda K
8832 - 8844	Modeling of Isomeric Structure of Diphenyl Urethane by FT-IR Spectroscopy During Synthesis from Phenylisocyanate and Phenol as an Inverse Kinetic Problem Spegazzini N, Siesler HW, Ozaki Y
8845 - 8854	Temperature Effects on the Rovibrational Spectra of Pyrene-Based PAHs Calvo F, Basire M, Parneix P
8855 - 8859	Realistic Parameters for Simple Models of the Belousov-Zhabotinsky Reaction Gorecki J, Szymanski J, Gorecka JN
8860 - 8869	Excited-State Dynamics of trans,trans-1,3,5,7-Octatetraene: Estimation of Decay Rate Constants of 1(1)B(u) (sic) 2(1)A(g) and 2(1)A(g) (sic) 1(1)A(g) Internal Conversions Islampour R, Miralinaghi M, Khavaninzadeh A
8870 - 8876	Emission and Excitation Spectra of Ce3+ and Pr3+ Ions in Hexafluoroelpasolite Lattices Duan CK, Tanner PA, Makhov V, Khaidukov N
8877 - 8888	Ab Initio Study of the Decomposition of 2,5-Dimethylfuran Simmie JM, Metcalfe WK
8889 - 8894	Dissociation Behavior of C2H6 Hydrate at Temperatures below the Ice Point: Melting to Liquid Water Followed by Ice Nucleation Ohno H, Oyabu I, Iizuka Y, Hondoh T, Narita H, Nagao J
8895 - 8905	Two-Dimensional Chirped-Pulse Fourier Transform Microwave Spectroscopy Wilcox DS, Hotopp KM, Dian BC
8906 - 8919	Atmospheric Chemistry of Two Biodiesel Model Compounds: Methyl Propionate and Ethyl Acetate Andersen VF, Berhanu TA, Nilsson EJK, Jorgensen S, Nielsen OJ, Wallington TJ, Johnson MS
8920 - 8927	Gas-Phase Raman Spectra and the Potential Energy Function for the Internal Rotation of 1,3-Butadiene and Its Isotopologues Boopalachandran P, Craig N, Groner P, Laane J
8928 - 8932	One-Electron Reduction of 17-(Dimethylaminoethylamino)-17-demethoxygeldanamycin: A Pulse Radiolysis Study Goldstein S
8933 - 8939	Gas phase Photo-Formation and Vacuum UV Photofragmentation Spectroscopy of Tryptophan and Tyrosine Radical-Containing Peptides Brunet C, Antoine R, Allouche AR, Dugourd P, Canon F, Giuliani A, Nahon L
8940 - 8947	Laboratory Investigation on the Role of Organics in Atmospheric Nanoparticle Growth Wang L, Xu W, Khalizov AF, Zheng J, Qiu C, Zhang RY
8948 - 8959	Adsorption of Trimethyl Phosphate on Maghemite, Hematite, and Goethite Nanoparticles Makie P, Westin G, Persson P, Osterlund L
8960 - 8968	Suppression of HOMO-LUMO Transition in a Twist Form of Oligo(phenyleneethynylene) Clamped by a Right-Handed Helical Peptide Nakayama H, Kimura S
8969 - 8982	Thermochemical Property Estimation of Hydrogenated Silicon Clusters Adamczyk AJ, Broadbelt LJ
8983 - 8989	Theoretical Investigation of the Isomerization of trans-HCOH to H2CO: An Example of a Water-Catalyzed Reaction Peters PS, Duflot D, Faure A, Kahane C, Ceccarelli C, Wiesenfeld L, Toubin C
8990 - 8996	Evaluation of a Combination of Local Hybrid Functionals with DFT-D3 Corrections for the Calculation of Thermochemical and Kinetic Data Theilacker K, Arbuznikov AV, Bahmann H, Kaupp M
8997 - 9003	Bonding Nature and Electron Delocalization of An(COT)(2), An = Th, Pa, U Paez-Hernandez D, Murillo-Lopez JA, Arratia-Perez R
9004 - 9013	Bond Energies, Reaction Volumes, and Kinetics for sigma- and pi-Complexes of Mo(CO)(5)L Gittermann SM, Letterman RG, Jiao TJ, Leu GL, DeYonker NJ, Webster CE, Burkey TJ
9014 - 9021	Vibrational Spectrum and Structure of CoO6: A Model Compound for Molecular Oxygen Reversible Binding on Cobalt Oxides and Salts; A Combined IR Matrix Isolation and Theoretical Study Marzouk A, Danset D, Zhou MF, Gong Y, Aikhani ME, Manceron L
9022 - 9032	Triple-Decker-Sandwich versus Rice-Ball Structures for Tris(benzene)dimetal Derivatives of the First-Row Transition Metals Liu HB, Li QS, Xie YM, King RB, Schaefer HF
9033 - 9042	First-Principles Study of Rectification in Bis-2-(5-ethynylthienyl)ethyne Molecular Junctions Yuan SD, Wang SY, Mei QB, Ling QD, Wang LH, Huang W
9043 - 9054	Effects Induced by Axial Ligands Binding to Tetrapyrrole-Based Aromatic Metallomacrocycles Yang Y
9055 - 9068	Topological Analysis of the Molecular Charge Density and Impact Sensitivy Models of Energetic Molecules Anders G, Borges I
9069 - 9080	Theoretical Study on the Regioselectivity of the B-80 Buckyball in Electrophilic and Nucleophilic Reactions Using DFT-Based Reactivity Indices Muya JT, De Proft F, Geerlings P, Nguyen MT, Ceulemans A
9081 - 9081	Thermochemical Properties of exo-Tricyclo-[5.2.1.0(2,6)]decane (JP-10 Jet Fuel) and Derived Tricyclodecyl Radicals (vol 114, pg 9545, 2010) Asatryan JHR, Bozzelli JW